SCHEMBL8978124

SCHEMBL8978124

NC(=O)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.40
▸ CTSD P07339 4/20 0.37
▸ PTGS1 P23219 1/20 0.35
▸ GSTK1 Q9Y2Q3 1/20 0.35
▸ MME P08473 1/20 0.35
▸ FOLH1 Q04609 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8978115 1.00 BACE1 (0.40) BACE1CTSDPTGS1GSTK1MME
SCHEMBL30862102 0.93 BACE1 (0.38) BACE1CTSDMMEFOLH1
SCHEMBL30008175 0.93 BACE1 (0.40) BACE1CTSDMME
SCHEMBL29378004 0.89 MME (0.37) BACE1MME
SCHEMBL30782660 0.89 BACE1 (0.39) BACE1CTSDMME
SCHEMBL30442348 0.89 BACE1 (0.49) BACE1CTSD
SCHEMBL31453841 0.88 DPP4 (0.39) BACE1CTSD
SCHEMBL30272504 0.87 BACE1 (0.37) BACE1CTSDMME
SCHEMBL29900923 0.87 MME (0.37) MME
SCHEMBL29842532 0.87 NAALAD2 (0.38) BACE1MMEFOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516657-A Baculovirus vectors for expression of secretory and membrane-bound proteins CAMBRIDGE BIOTECH CORPORATION (US) 1996-05-14 — — US disclosed
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